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阿立哌唑-d8(Butyl-d8)CAS号 : 1089115-04-7 Compound CID : 25144831分子式: C23D8H19Cl2N3O2 分子量: 456.43IUPAC Name: 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClInChIKey: CEUORZQYGODEFX-BQLKVSHCSA-NInChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2
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L-异亮氨酸-15NCAS号 : 59935-30-7 Compound CID : 10678279分子式: C6H1315NO2 分子量: 132.17IUPAC Name: (2S,3S)-2-(15N)azanyl-3-methylpentanoic acidSMILES: CCC(C)C(C(=O)O)NInChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-NInChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1
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α-L-天冬酰胺-15N 一水合物CAS号 : 204451-47-8 Compound CID : 522362分子式: C4H815NNO3· H2O 分子量: 151.13IUPAC Name: 2,4-diamino-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-UHFFFAOYSA-NInChI: InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
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褪黑素D4CAS号 : 66521-38-8 Compound CID : 12358981分子式: C13H12D4N2O2 分子量: 236.3IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-NZLXMSDQSA-NInChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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西布特罗-D9CAS号 : 1246819-04-4 Compound CID : 71312591分子式: C13H10D9N3O 分子量: 242.36IUPAC Name: 2-amino-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzonitrileSMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)OInChIKey: YKKQAXQGZIBJFS-GQALSZNTSA-NInChI: InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3/i1D3,2D3,3D3
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班布特罗盐酸盐-d9CAS号 : 1794810-59-5 Compound CID : 71313617分子式: C18H21D9ClN3O5 分子量: 412.96IUPAC Name: [3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochlorideSMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.ClInChIKey: LBARATORRVNNQM-KYRNGWDOSA-NInChI: InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/i1D3,2D3,3D3;
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ML 179,肝受体同源物1（LRH1）反向激动剂CAS号 : 1883548-87-5 Compound CID : 75089674分子式: C21H25F3N4O2 分子量: 422.44IUPAC Name: 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dioneSMILES: C1CCC(CC1)N2C(=O)CC(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)FInChIKey: KTWKLBPBUXCXRG-UHFFFAOYSA-NInChI: InChI=1S/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30)
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磷酸胆碱-d9氯化钙盐CAS号 : 344299-43-0分子式: C5H4D9NO4P・Ca・Cl 分子量: 266.72IUPAC Name: calcium;2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate;chlorideSMILES: O=P([O-])([O-])OCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ca+2].[Cl-]InChIKey: ICVPTJCCKTXCDT-VIVYLVLJSA-LInChI: InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2/i1D3,2D3,3D3;;
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奥司他韦-d3酸CAS号 : 1242184-43-5 Compound CID : 71434284分子式: C14H21D3N2O4 分子量: 287.37IUPAC Name: 5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acidSMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OInChIKey: NENPYTRHICXVCS-HPRDVNIFSA-NInChI: InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/i3D3
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N-亚硝基二乙胺-d4CAS号 : 1346603-41-5 Compound CID : 126456058分子式: C4H6D4N2O 分子量: 106.16IUPAC Name: N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amideSMILES: CCN(CC)N=OInChIKey: WBNQDOYYEUMPFS-VEPVEJTGSA-NInChI: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/i1D2,3D2
